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762177-71-9 | 1,2,3-Benzotriazinium, 2-methyl-4-(phenylamino)-
CAS No: 762177-71-9 Catalog No: AG005EVL MDL No:
Product Description
Catalog Number:
AG005EVL
Chemical Name:
1,2,3-Benzotriazinium, 2-methyl-4-(phenylamino)-
CAS Number:
762177-71-9
Molecular Formula:
C14H15N4+
Molecular Weight:
239.2957
IUPAC Name:
2-methyl-N-phenyl-1,3-dihydro-1,2,3-benzotriazin-1-ium-4-imine
InChI:
InChI=1S/C14H14N4/c1-18-16-13-10-6-5-9-12(13)14(17-18)15-11-7-3-2-4-8-11/h2-10,16H,1H3,(H,15,17)/p+1
InChI Key:
OKUKIAUBLPUJKY-UHFFFAOYSA-O
SMILES:
CN1N=C(Nc2ccccc2)c2c([NH2+]1)cccc2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.13g/mol
Formal Charge:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.302g/mol
Monoisotopic Mass:
239.13g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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